0 Members and 1 Guest are viewing this topic.
quote:Originally posted by YlideI don't know about software, but if you know the molecular structure of a conjugated alkene you can predict the wavelength of color that will be absorbed using quantum mechanics. I did this last year in a Phys. Chem. experiment with various dyes. It's a simple particle-in-the-box problem using the net bond lengths across the conjugated system of the molecule. As for more simple molecules or atoms, I'm sure there's a way to predict their color as well by the energies and orbitals of the valence electrons, I'm just not recalling exactly how.
quote:Originally posted by SupercryptidIs there any computer software that can predict a substances color in this way? If so, I'd really like to have it.